UCSF

ZINC33823868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 4.02 -12.07 1 7 0 67 387.48 7
Mid Mid (pH 6-8) 2.51 6.3 -44.33 2 7 1 68 388.488 7
Lo Low (pH 4.5-6) 2.51 6.88 -38.69 2 7 1 68 388.488 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )